Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.939 CA :: 45.346 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.383 HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 121.319 Ave N Shift Values>> N :: 109.91(4.29) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 M 0.12 E 0.11 R 0.03 HN Overlap>> 1.I40 1.I40 C Shift Assignments>> C :: 175.156 CA :: 55.521 CB :: 29.818 CG :: 33.846 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.140 HA :: 4.339 HB2 :: 2.052 HB3 :: 1.926 HG2 :: 2.360 HG3 :: 2.360 HE21 :: 7.493 HE22 :: 7.493 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.000 NE2 :: 112.002 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.14 C 0.03 L 0.01 C Shift Assignments>> C :: 176.139 CA :: 51.766 CB :: 19.991 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.306 HA :: 4.320 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.559 Ave N Shift Values>> N :: 123.23(3.7) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> C :: 174.740 CA :: 50.491 CB :: 17.560 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.113 HA :: 4.074 HB1 :: 1.195 HB2 :: 1.195 HB3 :: 1.195 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.274 Ave N Shift Values>> N :: 123.23(3.7) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.951 CA :: 62.720 CB :: 32.188 CG :: 27.677 CD :: 49.457 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.631 HB2 :: 2.387 HB3 :: 1.817 HG2 :: 1.873 HG3 :: 1.797 HD2 :: 3.719 HD3 :: 3.302 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.588 CA :: 58.619 CB :: 63.683 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.989 HA :: 4.299 HB2 :: 4.019 HB3 :: 4.019 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.075 Ave N Shift Values>> N :: 116.3(3.95) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.23 M 0.22 K 0.14 E 0.1 R 0.01 C Shift Assignments>> C :: 176.379 CA :: 56.232 CB :: 30.731 CG :: 33.551 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.202 HA :: 4.079 HB2 :: 2.056 HB3 :: 1.832 HG2 :: 2.422 HG3 :: 2.184 HE21 :: 7.046 HE22 :: 7.726 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.986 NE2 :: 112.008 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 175.347 CA :: 64.521 CB :: 32.084 CG1 :: 21.611 CG2 :: 21.542 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.236 HA :: 3.953 HB :: 1.916 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.28 C Shift Assignments>> C :: 175.761 CA :: 62.500 CB :: 33.817 CG1 :: 21.737 CG2 :: 19.464 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.893 HA :: 4.374 HB :: 2.242 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.460 Ave N Shift Values>> N :: 121.02(4.96) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 173.439 CA :: 62.550 CB :: 33.360 CG1 :: 20.871 CG2 :: 20.775 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.931 HA :: 4.291 HB :: 1.870 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.492 Ave N Shift Values>> N :: 121.02(4.96) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 173.554 CA :: 59.989 CB :: 40.920 CG1 :: 28.395 CG2 :: 16.240 CD1 :: 14.752 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.096 HA :: 4.946 HB :: 1.733 HG12 :: 1.022 HG13 :: 1.640 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.112 Ave N Shift Values>> N :: 121.6(4.72) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.22 G 0.13 K 0.13 C Shift Assignments>> C :: 174.239 CA :: 54.275 CB :: 33.998 CG :: 26.890 CD :: 43.427 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.373 HA :: 4.787 HB2 :: 1.801 HB3 :: 1.628 HG2 :: 1.511 HG3 :: 1.366 HD2 :: 3.142 HD3 :: 3.101 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.925 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.22 M 0.14 E 0.06 R 0.04 C Shift Assignments>> C :: 175.014 CA :: 54.656 CB :: 29.855 CG :: 33.383 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.727 HA :: 4.596 HB2 :: 1.933 HB3 :: 1.843 HG2 :: 2.122 HG3 :: 2.065 HE21 :: 6.791 HE22 :: 7.107 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.969 NE2 :: 109.866 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 M 0.14 I 0.05 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.990 CA :: 57.159 CB :: 31.382 CG :: 36.790 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.856 HA :: 4.337 HB2 :: 1.785 HB3 :: 1.664 HG2 :: 1.952 HG3 :: 2.050 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.650 Ave N Shift Values>> N :: 120.68(3.68) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 K 0.17 G 0.05 C Shift Assignments>> C :: 173.868 CA :: 56.094 CB :: 32.460 CG :: 26.794 CD :: 43.107 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.707 HA :: 4.409 HB2 :: 1.829 HB3 :: 1.735 HG2 :: 1.458 HG3 :: 1.458 HD2 :: 3.132 HD3 :: 3.132 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.574 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.17 L 0.05 C 0.05 C Shift Assignments>> C :: 176.763 CA :: 52.176 CB :: 20.651 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.658 HA :: 4.799 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.911 Ave N Shift Values>> N :: 123.23(3.7) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.914 CA :: 43.715 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.465 HA2 :: 4.606 HA3 :: 3.811 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.943 Ave N Shift Values>> N :: 109.91(4.29) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 Q 0.17 K 0.15 M 0.07 I 0.05 R 0.01 C Shift Assignments>> C :: 175.641 CA :: 59.045 CB :: 29.899 CG :: 34.666 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.544 HA :: 4.275 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.415 HG3 :: 2.167 HE21 :: 6.908 HE22 :: 7.484 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.511 NE2 :: 111.703 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T25 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 174.099 CA :: 59.224 CB :: 70.701 CG2 :: 21.233 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.725 HA :: 4.585 HB :: 4.742 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 141.606(A) Ave N Shift Values>> N :: 115.7(5.05) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.18 C Shift Assignments>> C :: 172.017 CA :: 56.286 CB :: 66.737 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.118 HA :: 5.467 HB2 :: 3.676 HB3 :: 3.510 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.148 Ave N Shift Values>> N :: 116.3(3.95) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 I 0.01 C Shift Assignments>> C :: 173.790 CA :: 61.250 CB :: 36.368 CG1 :: 21.630 CG2 :: 20.770 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.361 HA :: 4.400 HB :: 1.431 HG11 :: 0.657 HG12 :: 0.657 HG13 :: 0.657 HG21 :: 0.395 HG22 :: 0.395 HG23 :: 0.395 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.210 Ave N Shift Values>> N :: 121.02(4.96) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.961 CA :: 57.447 CB :: 63.788 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.730 HA :: 5.336 HB2 :: 4.095 HB3 :: 3.578 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.961 Ave N Shift Values>> N :: 116.3(3.95) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.35 L 0.21 A 0.05 C Shift Assignments>> C :: 175.171 CA :: 53.669 CB :: 46.744 CG :: 26.829 CD1 :: 23.448 CD2 :: 25.539 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.112 HA :: 5.055 HB2 :: 1.816 HB3 :: 1.426 HG :: 1.256 HD11 :: 0.285 HD12 :: 0.285 HD13 :: 0.285 HD21 :: 0.328 HD22 :: 0.328 HD23 :: 0.328 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.870 Ave N Shift Values>> N :: 121.98(4.07) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.31 C 0.26 HN Overlap>> 1.F94 1.F94 C Shift Assignments>> C :: 174.464 CA :: 54.739 CB :: 45.952 CG :: 27.053 CD1 :: 25.399 CD2 :: 24.910 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.814 HA :: 4.742 HB2 :: 1.420 HB3 :: 1.420 HG :: 1.356 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.082 Ave N Shift Values>> N :: 121.98(4.07) 1.W31 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 173.483 CA :: 56.296 CB :: 31.150 CD1 :: 124.765 CE3 :: 119.256 CZ2 :: 115.474 CZ3 :: 120.777 CH2 :: 123.531 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.946 HA :: 5.326 HB2 :: 3.372 HB3 :: 3.269 HD1 :: 6.448 HE1 :: 5.611(A) HE3 :: 6.825 HZ2 :: 7.006 HZ3 :: 6.524 HH2 :: 6.546 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.738 NE1 :: 123.997 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.3 Q 0.17 E 0.1 K 0.05 C Shift Assignments>> C :: 176.053 CA :: 53.707 CB :: 31.421 CG :: 34.327 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.717 HA :: 4.674 HB2 :: 2.213 HB3 :: 1.966 HG2 :: 2.477 HG3 :: 2.325 HE21 :: 6.910 HE22 :: 7.555 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.368 NE2 :: 111.450 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.1 K 0.08 Q 0.04 I 0.02 C Shift Assignments>> C :: 174.308 CA :: 55.199 CB :: 30.055 CG :: 36.353 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.023 HA :: 4.684 HB2 :: 2.055 HB3 :: 2.012 HG2 :: 2.519 HG3 :: 2.402 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.787 Ave N Shift Values>> N :: 120.68(3.68) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 175.151 CA :: 62.923 CB :: 33.121 CG :: 28.193 CD :: 50.954 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.242 HB2 :: 2.345 HB3 :: 1.452 HG2 :: 1.808 HG3 :: 1.865 HD2 :: 3.774 HD3 :: 4.078 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.17 M 0.04 K 0.03 Q 0.01 HN Overlap>> 1.K74 1.K74 C Shift Assignments>> C :: 176.868 CA :: 58.874 CB :: 30.270 CG :: 36.811 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.507 HA :: 3.988 HB2 :: 2.067 HB3 :: 1.999 HG2 :: 2.460 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.036 Ave N Shift Values>> N :: 120.68(3.68) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.24 K 0.22 M 0.07 R 0.06 P 0.05 E 0.02 C Shift Assignments>> C :: 172.633 CA :: 52.319 CB :: 28.961 CG :: 33.402 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.084 HA :: 4.850 HB2 :: 1.957 HB3 :: 2.007 HG2 :: 2.320 HG3 :: 2.259 HE21 :: 6.823 HE22 :: 7.578 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.201 NE2 :: 112.172 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 64.361 CB :: 31.996 CG :: 27.447 CD :: 50.293 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.986 HB2 :: 2.061 HB3 :: 2.303 HG2 :: 2.199 HG3 :: 1.991 HD2 :: 3.760 HD3 :: 3.558 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.26 Y 0.1 E 0.09 F 0.05 D 0.05 M 0.04 K 0.01 C Shift Assignments>> C :: 173.563 CA :: 53.910 CB :: 37.237 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.380 HA :: 4.247 HB2 :: 2.806 HB3 :: 2.472 HD21 :: 6.972 HD22 :: 7.339 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 109.219 ND2 :: 115.865 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.26 L 0.25 C 0.1 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.933 CA :: 44.109 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.455 HA2 :: 4.239 HA3 :: 3.794 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.528 Ave N Shift Values>> N :: 109.91(4.29) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.Q8 1.Q8 C Shift Assignments>> C :: 176.689 CA :: 60.281 CB :: 38.786 CG1 :: 27.543 CG2 :: 17.063 CD1 :: 12.328 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.168 HA :: 4.054 HB :: 1.728 HG12 :: 1.545 HG13 :: 1.201 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.028 Ave N Shift Values>> N :: 121.6(4.72) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 HN Overlap>> 1.A97 1.A97 C Shift Assignments>> C :: 175.811 CA :: 62.305 CB :: 36.896 CG1 :: 28.547 CG2 :: 17.145 CD1 :: 13.212 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.779 HA :: 3.686 HB :: 1.810 HG12 :: 1.661 HG13 :: 0.864 HG21 :: 0.383 HG22 :: 0.383 HG23 :: 0.383 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.245 Ave N Shift Values>> N :: 121.6(4.72) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.27 R 0.11 G 0.1 A 0.05 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 177.254 CA :: 55.919 CB :: 43.502 CG :: 27.095 CD1 :: 25.380 CD2 :: 21.992 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.917 HA :: 4.280 HB2 :: 1.477 HB3 :: 1.398 HG :: 1.724 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.747 Ave N Shift Values>> N :: 121.98(4.07) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 C 0.32 E 0.17 Q 0.12 K 0.03 C Shift Assignments>> C :: 172.165 CA :: 54.730 CB :: 31.847 CG :: 34.921 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.480 HA :: 4.629 HB2 :: 2.363 HB3 :: 1.944 HG2 :: 1.899 HG3 :: 2.052 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.151 Ave N Shift Values>> N :: 120.68(3.68) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 Y 0.2 G 0.02 C Shift Assignments>> C :: 174.570 CA :: 56.659 CB :: 41.865 CD1 :: 135.946 CD2 :: 132.567 CE1 :: 116.871 CE2 :: 116.871 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.440 HA :: 5.293 HB2 :: 2.958 HB3 :: 2.703 HD1 :: 7.139 HD2 :: 6.700 HE1 :: 6.619 HE2 :: 6.662 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.207 Ave N Shift Values>> N :: 120.79(4.69) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.18 E 0.12 C Shift Assignments>> C :: 174.468 CA :: 54.847 CB :: 33.637 CG :: 36.822 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.189 HA :: 5.028 HB2 :: 1.951 HB3 :: 1.834 HG2 :: 2.168 HG3 :: 2.086 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.734 Ave N Shift Values>> N :: 120.68(3.68) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.745 CA :: 60.225 CB :: 39.746 CG1 :: 28.480 CG2 :: 18.748 CD1 :: 15.689 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.480 HA :: 4.923 HB :: 2.015 HG12 :: 1.320 HG13 :: 0.647 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.476 Ave N Shift Values>> N :: 121.6(4.72) 1.K47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 K 0.29 R 0.12 M 0.01 C Shift Assignments>> C :: 174.796 CA :: 54.243 CB :: 36.300 CG :: 25.270 CD :: 29.530 CE :: 40.985 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.273 HA :: 5.399 HB2 :: 1.491 HB3 :: 1.085 HG2 :: 0.845 HG3 :: 1.147 HD2 :: 0.836 HD3 :: 0.711(S) HE2 :: 1.748(S) HE3 :: 1.606(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.075 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.36 G 0.09 C Shift Assignments>> C :: 173.813 CA :: 55.167 CB :: 42.924 CD1 :: 132.916 CD2 :: 132.916 CE1 :: 118.142 CE2 :: 118.142 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.944 HA :: 5.791 HB2 :: 2.554 HB3 :: 1.889 HD1 :: 6.589 HD2 :: 6.589 HE1 :: 6.501 HE2 :: 6.501 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.556 Ave N Shift Values>> N :: 120.79(4.69) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> C :: 173.901 CA :: 55.150 CB :: 39.262 CD1 :: 133.965 CD2 :: 133.965 CE1 :: 117.139 CE2 :: 117.139 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.796 HA :: 4.883 HB2 :: 3.228 HB3 :: 2.946 HD1 :: 6.661 HD2 :: 6.661 HE1 :: 6.511 HE2 :: 6.511 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.659 Ave N Shift Values>> N :: 120.79(4.69) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 K 0.07 M 0.06 I 0.06 Q 0.02 C Shift Assignments>> C :: 176.407 CA :: 56.254 CB :: 29.838 CG :: 36.716 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.007 HA :: 3.847 HB2 :: 1.850 HB3 :: 1.746 HG2 :: 2.050 HG3 :: 1.810 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.047 Ave N Shift Values>> N :: 120.68(3.68) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 176.556 CA :: 58.853 CB :: 33.264 CG :: 24.853 CD :: 29.558 CE :: 42.197 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.242 HA :: 3.778 HB2 :: 1.687 HB3 :: 1.191 HG2 :: 1.337 HG3 :: 1.257 HD2 :: 1.496 HD3 :: 1.422 HE2 :: 2.957 HE3 :: 2.957 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.564 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.17 D 0.16 L 0.1 N 0.07 K 0.04 I 0.03 C Shift Assignments>> C :: 176.303 CA :: 56.254 CB :: 39.901 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.881 HA :: 4.530 HB2 :: 2.877 HB3 :: 2.877 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.774 Ave N Shift Values>> N :: 120.73(4.2) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.33 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 177.089 CA :: 55.074 CB :: 33.032 CG :: 24.805 CD :: 28.871 CE :: 42.426 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.057 HA :: 4.658 HB2 :: 2.024 HB3 :: 1.734 HG2 :: 1.358 HG3 :: 1.250 HD2 :: 1.638 HD3 :: 1.537 HE2 :: 2.954 HE3 :: 2.954 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.129 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.13 I 0.11 Q 0.09 M 0.03 C Shift Assignments>> C :: 176.769 CA :: 59.045 CB :: 29.276 CG :: 35.494 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.371 HA :: 3.641 HB2 :: 1.684 HB3 :: 1.568 HG2 :: 1.885 HG3 :: 1.608(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.097 Ave N Shift Values>> N :: 120.68(3.68) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.45 A 0.07 C Shift Assignments>> C :: 176.723 CA :: 56.413 CB :: 31.317 CG :: 32.240 CE :: 16.782 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.292 HA :: 4.074 HB2 :: 2.021 HB3 :: 1.939 HG2 :: 2.526 HG3 :: 2.392 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.673 Ave N Shift Values>> N :: 120.1(3.88) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.14 M 0.07 R 0.03 I 0.01 C Shift Assignments>> C :: 176.040 CA :: 56.999 CB :: 29.418 CG :: 34.020 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.073 HA :: 4.324 HB2 :: 2.118 HB3 :: 2.021 HG2 :: 2.334 HG3 :: 2.334 HE21 :: 6.862 HE22 :: 7.520 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.453 NE2 :: 112.349 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.101 CA :: 57.990 CB :: 64.525 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.900 HA :: 4.520 HB2 :: 3.760 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.310 Ave N Shift Values>> N :: 116.3(3.95) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.332 CA :: 57.037 CB :: 39.678 CD1 :: 133.570 CD2 :: 133.570 CE1 :: 118.107 CE2 :: 118.107 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.670 HA :: 4.934 HB2 :: 2.959 HB3 :: 2.904 HD1 :: 6.926 HD2 :: 6.926 HE1 :: 6.685 HE2 :: 6.685 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.385 Ave N Shift Values>> N :: 120.79(4.69) 1.S59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.958 CA :: 57.525 CB :: 65.482 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.663 HA :: 4.700 HB2 :: 3.481 HB3 :: 2.465(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.936 Ave N Shift Values>> N :: 116.3(3.95) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 174.137 CA :: 60.334 CB :: 72.556 CG2 :: 21.885 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.302 HA :: 5.867 HB :: 4.096 HG21 :: 1.256 HG22 :: 1.256 HG23 :: 1.256 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.605 Ave N Shift Values>> N :: 115.7(5.05) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.37 L 0.2 C Shift Assignments>> C :: 174.897 CA :: 54.398 CB :: 46.442 CG :: 27.330 CD1 :: 26.701 CD2 :: 25.121 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.355 HA :: 4.905 HB2 :: 1.851 HB3 :: 1.851 HG :: 1.831 HD11 :: 1.047 HD12 :: 1.047 HD13 :: 1.047 HD21 :: 1.179 HD22 :: 1.179 HD23 :: 1.179 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.914 Ave N Shift Values>> N :: 121.98(4.07) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 176.016 CA :: 54.819 CB :: 34.716 CG :: 25.294 CD :: 28.960 CE :: 42.089 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.569 HA :: 5.461 HB2 :: 1.898 HB3 :: 1.820 HG2 :: 1.562 HG3 :: 1.413 HD2 :: 1.728 HD3 :: 1.595 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.938 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.2 A 0.1 K 0.09 M 0.07 P 0.01 R 0.01 C Shift Assignments>> C :: 176.716 CA :: 51.345 CB :: 23.516 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.127 HA :: 5.079 HB1 :: 1.804 HB2 :: 1.804 HB3 :: 1.804 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.588 Ave N Shift Values>> N :: 123.23(3.7) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.712 CA :: 62.081 CB :: 32.154 CG1 :: 21.540 CG2 :: 19.471 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.891 HA :: 4.750 HB :: 2.556 HG11 :: 1.173 HG12 :: 1.173 HG13 :: 1.173 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.162 Ave N Shift Values>> N :: 121.02(4.96) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 A 0.01 C Shift Assignments>> C :: 172.440 CA :: 59.222 CB :: 70.103 CG2 :: 20.387 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.675 HA :: 4.799 HB :: 4.346 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.733 Ave N Shift Values>> N :: 115.7(5.05) 1.T66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.51 T 0.25 C 0.22 C Shift Assignments>> C :: 171.796 CA :: 59.892 CB :: 66.012 CG2 :: 21.520 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.441 HA :: 2.807(S) HB :: 4.054 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.110 Ave N Shift Values>> N :: 115.7(5.05) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.27 K 0.16 G 0.11 C Shift Assignments>> C :: 174.758 CA :: 54.581 CB :: 33.381 CG :: 26.370 CD :: 43.466 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.675 HA :: 4.237 HB2 :: 1.587 HB3 :: 1.490 HG2 :: 1.276 HG3 :: 1.237 HD2 :: 2.967 HD3 :: 2.967 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.531 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 A 0.17 C 0.14 M 0.12 K 0.07 C Shift Assignments>> C :: 175.601 CA :: 52.421 CB :: 22.834 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.120 HA :: 4.534 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.781 Ave N Shift Values>> N :: 123.23(3.7) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.878 CA :: 62.123 CB :: 70.529 CG2 :: 21.223 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.621 HA :: 4.903 HB :: 3.881 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.717 Ave N Shift Values>> N :: 115.7(5.05) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 174.293 CA :: 61.895 CB :: 31.920 CG1 :: 20.967 CG2 :: 20.151 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.996 HA :: 3.973 HB :: 1.691 HG11 :: 0.289 HG12 :: 0.289 HG13 :: 0.289 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.786 Ave N Shift Values>> N :: 121.02(4.96) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 173.551 CA :: 56.857 CB :: 65.192 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.396 HA :: 5.053 HB2 :: 3.913 HB3 :: 3.787 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.752 Ave N Shift Values>> N :: 116.3(3.95) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.062 CA :: 46.176 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.686 HA2 :: 4.008 HA3 :: 3.862 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.032 Ave N Shift Values>> N :: 109.91(4.29) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 C 0.19 L 0.13 R 0.01 HN Overlap>> 1.K104 1.K104 C Shift Assignments>> C :: 175.912 CA :: 53.173 CB :: 41.350 CG :: 26.126 CD1 :: 25.828 CD2 :: 19.952 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.256 HA :: 4.269 HB2 :: 1.295 HB3 :: 0.962 HG :: 1.060 HD11 :: 0.115 HD12 :: 0.115 HD13 :: 0.115 HD21 :: 0.010 HD22 :: 0.010 HD23 :: 0.010 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.006 Ave N Shift Values>> N :: 121.98(4.07) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.32 R 0.2 M 0.03 G 0.01 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 175.154 CA :: 54.324 CB :: 33.519 CG :: 25.156 CD :: 29.759 CE :: 42.085 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.529 HA :: 4.651 HB2 :: 1.844 HB3 :: 1.844 HG2 :: 1.643 HG3 :: 1.548 HD2 :: 1.753 HD3 :: 1.672 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.109 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.276 CA :: 62.827 CB :: 33.061 CG :: 27.230 CD :: 51.074 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.381 HB2 :: 2.433 HB3 :: 1.850 HG2 :: 2.023 HG3 :: 1.935 HD2 :: 3.673 HD3 :: 3.927 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.635 CA :: 47.598 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.104 HA2 :: 3.885 HA3 :: 3.719 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.838 Ave N Shift Values>> N :: 109.91(4.29) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 171.307 CA :: 62.838 CB :: 71.733 CG2 :: 20.365 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.378 HA :: 4.468 HB :: 3.934 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.189 Ave N Shift Values>> N :: 115.7(5.05) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.33 K 0.22 G 0.04 C Shift Assignments>> C :: 174.379 CA :: 56.154 CB :: 30.941 CG :: 28.351 CD :: 43.065 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.554 HA :: 4.733 HB2 :: 1.721 HB3 :: 1.679 HG2 :: 1.391 HG3 :: 1.541 HD2 :: 3.305 HD3 :: 3.128 HE :: 7.598 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.677 NE :: 83.933 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.24 Y 0.23 C Shift Assignments>> C :: 173.704 CA :: 57.819 CB :: 44.642 CD1 :: 132.389 CD2 :: 132.389 CE1 :: 118.660 CE2 :: 118.660 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.185 HA :: 4.824 HB2 :: 2.714 HB3 :: 2.331 HD1 :: 6.853 HD2 :: 6.853 HE1 :: 6.983 HE2 :: 6.983 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.335 Ave N Shift Values>> N :: 120.79(4.69) 1.V80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.100 CA :: 60.979 CB :: 33.183 CG1 :: 22.957 CG2 :: 21.006 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.493 HA :: 4.396 HB :: 0.484(S) HG11 :: 0.648 HG12 :: 0.648 HG13 :: 0.648 HG21 :: 0.588 HG22 :: 0.588 HG23 :: 0.588 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.984 Ave N Shift Values>> N :: 121.02(4.96) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.3 G 0.2 C Shift Assignments>> C :: 176.335 CA :: 56.695 CB :: 43.695 CD1 :: 132.062 CD2 :: 132.062 CE1 :: 130.307 CE2 :: 130.307 CZ :: 127.965 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.755 HA :: 5.229 HB2 :: 2.765 HB3 :: 2.510 HD1 :: 6.952 HD2 :: 6.952 HE1 :: 6.721 HE2 :: 6.721 HZ :: 6.404 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.442 Ave N Shift Values>> N :: 120.69(4.18) 1.Q82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 M 0.03 E 0.01 C Shift Assignments>> C :: 173.607 CA :: 55.332 CB :: 35.863(S) CG :: 36.161 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.064 HA :: 4.434 HB2 :: 1.508 HB3 :: 2.099 HG2 :: 2.207 HG3 :: 1.757 HE21 :: 6.868 HE22 :: 7.692 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.959 NE2 :: 111.997 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 I 0.01 C Shift Assignments>> C :: 175.909 CA :: 60.217 CB :: 35.874 CG1 :: 21.101 CG2 :: 20.057 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.897 HA :: 5.590 HB :: 1.150 HG11 :: 0.096 HG12 :: 0.096 HG13 :: 0.096 HG21 :: -0.108 HG22 :: -0.108 HG23 :: -0.108 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.313 Ave N Shift Values>> N :: 121.02(4.96) 1.R84 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.45 K 0.35 R 0.11 G 0.07 C Shift Assignments>> C :: 172.377 CA :: 54.189 CB :: 33.839 CG :: 24.940 CD :: 43.054 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.236 HA :: 4.947 HB2 :: 0.780(S) HB3 :: 1.455 HG2 :: 1.022 HG3 :: 1.145 HD2 :: 2.702 HD3 :: 0.642(A) HE :: 6.526 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.431 NE :: 84.415 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) (HD3 > HG2 : 0.9974) (HD3 > HG3 : 0.9982) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.26 C 0.16 M 0.1 K 0.01 C Shift Assignments>> C :: 175.017 CA :: 50.619 CB :: 22.404 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.837 HA :: 4.647 HB1 :: 1.265 HB2 :: 1.265 HB3 :: 1.265 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.683 Ave N Shift Values>> N :: 123.23(3.7) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.3 R 0.17 G 0.06 C Shift Assignments>> C :: 175.442 CA :: 55.806 CB :: 34.075 CG :: 28.485 CD :: 43.193 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.367 HA :: 4.997 HB2 :: 1.755 HB3 :: 1.624 HG2 :: 1.473 HG3 :: 1.422 HD2 :: 3.066 HD3 :: 3.156 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.27 C Shift Assignments>> C :: 175.977 CA :: 59.526 CB :: 72.298 CG2 :: 20.980 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.587 HA :: 4.973 HB :: 4.532 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.435 Ave N Shift Values>> N :: 115.7(5.05) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.738 CA :: 61.169 CB :: 62.592 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.818 HA :: 4.107 HB2 :: 3.928 HB3 :: 4.039 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.635 Ave N Shift Values>> N :: 116.3(3.95) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.2 C 0.03 L 0.02 C Shift Assignments>> C :: 177.416 CA :: 52.621 CB :: 20.104 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.034 HA :: 4.347 HB1 :: 1.180 HB2 :: 1.180 HB3 :: 1.180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.135 Ave N Shift Values>> N :: 123.23(3.7) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.812 CA :: 44.333 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.467 HA2 :: 4.425 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.449 Ave N Shift Values>> N :: 109.91(4.29) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.16 W 0.16 Q 0.15 R 0.14 C 0.13 K 0.13 M 0.05 I 0.03 V 0.01 C Shift Assignments>> C :: 175.916 CA :: 57.266 CB :: 29.673 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.533 HA :: 5.218 HB2 :: 2.724 HB3 :: 2.555 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.214 CA :: 44.251 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.544 HA2 :: 4.210 HA3 :: 3.893 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.140 Ave N Shift Values>> N :: 109.91(4.29) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 G 0.1 K 0.1 C Shift Assignments>> C :: 177.963 CA :: 56.126 CB :: 31.271 CG :: 27.298 CD :: 43.657 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.680 HA :: 4.181 HB2 :: 1.796 HB3 :: 1.607 HG2 :: 1.804 HG3 :: 1.804 HD2 :: 3.219 HD3 :: 3.219 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.966 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 177.364 CA :: 60.998 CB :: 40.324 CD1 :: 131.677 CD2 :: 131.677 CE1 :: 131.677 CE2 :: 131.677 CZ :: 129.841 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.888 HA :: 4.278 HB2 :: 3.267 HB3 :: 2.887 HD1 :: 7.135 HD2 :: 7.135 HE1 :: 7.242 HE2 :: 7.242 HZ :: 7.171 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.038 Ave N Shift Values>> N :: 120.69(4.18) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 173.261 CA :: 58.363 CB :: 65.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.476 HA :: 4.454 HB2 :: 4.297 HB3 :: 4.133 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.710 Ave N Shift Values>> N :: 116.3(3.95) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.25 E 0.11 R 0.06 M 0.04 C Shift Assignments>> C :: 176.813 CA :: 56.599 CB :: 28.777 CG :: 33.839 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.017 HA :: 4.254 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.510 HG3 :: 2.510 HE21 :: 6.975 HE22 :: 7.684 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.516 NE2 :: 112.259 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.26 C 0.03 L 0.01 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 176.495 CA :: 53.249 CB :: 19.422 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.803 HA :: 4.091 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.237 Ave N Shift Values>> N :: 123.23(3.7) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.3 A 0.3 C Shift Assignments>> C :: 174.155 CA :: 54.257 CB :: 35.079 CG :: 31.644 CE :: 17.432 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.460 HA :: 4.791 HB2 :: 2.074 HB3 :: 2.009 HG2 :: 2.554 HG3 :: 2.318 HE1 :: 1.773 HE2 :: 1.773 HE3 :: 1.773 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.269 Ave N Shift Values>> N :: 120.1(3.88) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.28 M 0.21 I 0.01 C Shift Assignments>> C :: 176.393 CA :: 54.922 CB :: 31.943 CG :: 36.875 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.793 HA :: 5.566 HB2 :: 1.939 HB3 :: 1.887 HG2 :: 2.242 HG3 :: 2.051 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.093 Ave N Shift Values>> N :: 120.68(3.68) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 C Shift Assignments>> C :: 173.435 CA :: 61.186 CB :: 36.686 CG1 :: 21.850 CG2 :: 21.655 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.219 HA :: 4.338 HB :: 2.027 HG11 :: 0.857 HG12 :: 0.857 HG13 :: 0.857 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.853 Ave N Shift Values>> N :: 121.02(4.96) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.28 E 0.21 Q 0.01 C Shift Assignments>> C :: 176.803 CA :: 53.995 CB :: 32.315 CG :: 36.406 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.639 HA :: 5.379 HB2 :: 2.002 HB3 :: 1.760 HG2 :: 2.333 HG3 :: 1.913 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.166 Ave N Shift Values>> N :: 120.68(3.68) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.46 C Shift Assignments>> C :: 176.156 CA :: 61.112 CB :: 69.672 CG2 :: 24.313 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.950 HA :: 4.239 HB :: 4.840 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.679 Ave N Shift Values>> N :: 115.7(5.05) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.067 CA :: 45.014 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.057 HA2 :: 4.038 HA3 :: 3.697 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.445 Ave N Shift Values>> N :: 109.91(4.29) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.32 R 0.16 M 0.03 G 0.01 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 174.794 CA :: 54.475 CB :: 32.831 CG :: 24.963 CD :: 29.338 CE :: 42.073 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.248 HA :: 4.485 HB2 :: 1.851 HB3 :: 1.725 HG2 :: 1.571 HG3 :: 1.505 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.993 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.748 CA :: 62.947 CB :: 31.970 CG :: 27.300 CD :: 50.473 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.478 HB2 :: 2.275 HB3 :: 1.990 HG2 :: 1.972 HG3 :: 2.077 HD2 :: 3.725 HD3 :: 3.570 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.561 CA :: 58.331 CB :: 64.020 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.457 HA :: 4.476 HB2 :: 3.893 HB3 :: 3.893 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.454 Ave N Shift Values>> N :: 116.3(3.95) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.769 CA :: 44.631 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.247 HA2 :: 4.177 HA3 :: 4.115 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.674 Ave N Shift Values>> N :: 109.91(4.29) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.226 CB :: 32.176 CG :: 27.153 CD :: 49.764 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.489 HB2 :: 2.306 HB3 :: 1.990 HG2 :: 2.032 HG3 :: 2.032 HD2 :: 3.641 HD3 :: 3.641 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.924 CA :: 58.597 CB :: 63.988 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.498 HA :: 4.499 HB2 :: 3.893 HB3 :: 3.893 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.008 CA :: 46.235 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.052 HA2 :: 3.785 HA3 :: 3.785 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.895 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 6 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 104 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 2 C Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 714 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 2 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.T25 N = 141.606(A), Expected = 115.70, Std = 5.0500, ChiSquare = 2.8989e-07 1.W31 HE1 = 5.611(A), Expected = 10.13, Std = 0.5300, ChiSquare = 1.5095e-17 1.W31 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W31 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.K47 HD3 = 0.711(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.2315e-04 1.K47 HE2 = 1.748(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.4211e-09 1.K47 HE3 = 1.606(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.5920e-11 1.E54 HG3 = 1.608(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.2921e-04 1.S59 HB3 = 2.465(S), Expected = 3.87, Std = 0.3100, ChiSquare = 5.8356e-06 1.T66 HA = 2.807(S), Expected = 4.48, Std = 0.5000, ChiSquare = 8.1986e-04 1.V80 HB = 0.484(S), Expected = 1.99, Std = 0.3300, ChiSquare = 5.0275e-06 1.Q82 CB = 35.863(S), Expected = 29.10, Std = 1.9700, ChiSquare = 5.9695e-04 1.R84 HB2 = 0.780(S), Expected = 1.79, Std = 0.2800, ChiSquare = 3.0959e-04 1.R84 HD3 = 0.642(A), Expected = 3.13, Std = 0.2200, ChiSquare = 1.1831e-29 1.R84 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R84 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R84 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R84 SRO Rule Break>> HD3 > HG3 : 0.998244844229925